(6E)-6-({1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	4VKq6oC2Fze
InChI	InChI=1S/C29H24N6O2S/c1-18-9-10-22(14-19(18)2)37-13-12-34-17-21(23-7-3-4-8-25(23)34)15-24-26(30)35-29(32-27(24)36)38-28(33-35)20-6-5-11-31-16-20/h3-11,14-17,30H,12-13H2,1-2H3/b24-15+,30-26?
InChIKey	VPOYEYQGODMHBJ-KTANTHGASA-N Google Search
Mol Weight	520.61 g/mol
Molecular Formula	C29H24N6O2S
Exact Mass	520.168145 g/mol

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SpectraBase Spectrum ID	ASunZVEIkxM
Name	(6E)-6-({1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C29H24N6O2S/c1-18-9-10-22(14-19(18)2)37-13-12-34-17-21(23-7-3-4-8-25(23)34)15-24-26(30)35-29(32-27(24)36)38-28(33-35)20-6-5-11-31-16-20/h3-11,14-17,30H,12-13H2,1-2H3/b24-15+,30-26?
InChIKey	VPOYEYQGODMHBJ-KTANTHGASA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_21601
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D55124; Labnumber: CEP5-0687; SBI_ID: SBI-021605
Synonyms	6-({1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	315 °C